N-[8-hydroxy-2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-4-phenylbutanamide

C26H29N3O2 — CID 137158320

IUPACN-[8-hydroxy-2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-4-phenylbutanamide
SMILESCC(C)Cc1nc2c(nc1NC(=O)CCCc1ccccc1)CCc1cc(O)ccc1-2
InChIInChI=1S/C26H29N3O2/c1-17(2)15-23-26(29-24(31)10-6-9-18-7-4-3-5-8-18)28-22-14-11-19-16-20(30)12-13-21(19)25(22)27-23/h3-5,7-8,12-13,16-17,30H,6,9-11,14-15H2,1-2H3,(H,28,29,31)
InChIKeySDLTXCASOQXTDQ-UHFFFAOYSA-N
MW415.54 g/mol
LogP5.11
Rot. Bonds7

About N-[8-hydroxy-2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-4-phenylbutanamide

N-[8-hydroxy-2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-4-phenylbutanamide (PubChem CID 137158320) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is N-[8-hydroxy-2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[8-hydroxy-2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-4-phenylbutanamide
PubChem CID137158320
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC NameN-[8-hydroxy-2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-4-phenylbutanamide
SMILESCC(C)Cc1nc2c(nc1NC(=O)CCCc1ccccc1)CCc1cc(O)ccc1-2
InChIInChI=1S/C26H29N3O2/c1-17(2)15-23-26(29-24(31)10-6-9-18-7-4-3-5-8-18)28-22-14-11-19-16-20(30)12-13-21(19)25(22)27-23/h3-5,7-8,12-13,16-17,30H,6,9-11,14-15H2,1-2H3,(H,28,29,31)
InChIKeySDLTXCASOQXTDQ-UHFFFAOYSA-N
XLogP5.11
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.54
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[8-hydroxy-2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-4-phenylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[8-hydroxy-2-(2-methylprop-1-enyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-4-phenylbutanamide
CID 136625402
N-(2-benzyl-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)-3-methylbutanamide
CID 136625019
2-(4-chlorophenyl)-N-[8-hydroxy-2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide
CID 136625384
N-[8-hydroxy-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide
CID 136625036
2-(3,4-difluorophenyl)-N-[8-hydroxy-2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide
CID 136625385
N-(3-benzyl-7-hydroxy-9H-indeno[1,2-b]pyrazin-2-yl)-3-phenylpropanamide
CID 140639333
N-(3-benzyl-7-hydroxy-9H-indeno[1,2-b]pyrazin-2-yl)-3-methylbutanamide
CID 136625072
N-(8-hydroxy-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-phenylacetamide
CID 136625045
N-[8-hydroxy-2-[(E)-2-phenylethenyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-methylbutanamide
CID 140639327
N-[8-(hydroxymethyl)-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-naphthalen-2-ylacetamide;N-[8-(hydroxymethyl)-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-phenylacetamide;N-[8-(hydroxymethyl)-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-4-phenylbutanamide;N-[8-(hydroxymethyl)-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-phenylpropanamide
CID 157118513
N-(2-ethyl-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-naphthalen-2-ylacetamide
CID 136625034
2-(4-fluorophenyl)-N-[2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide
CID 70830114

Frequently Asked Questions

What is the IUPAC name of N-[8-hydroxy-2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-4-phenylbutanamide?
The IUPAC name of N-[8-hydroxy-2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-4-phenylbutanamide (CID 137158320) is N-[8-hydroxy-2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-4-phenylbutanamide.
What is the SMILES notation for N-[8-hydroxy-2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-4-phenylbutanamide?
The canonical SMILES for N-[8-hydroxy-2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-4-phenylbutanamide is CC(C)Cc1nc2c(nc1NC(=O)CCCc1ccccc1)CCc1cc(O)ccc1-2.
What is the InChIKey of N-[8-hydroxy-2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-4-phenylbutanamide?
The InChIKey is SDLTXCASOQXTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2/c1-17(2)15-23-26(29-24(31)10-6-9-18-7-4-3-5-8-18)28-22-14-11-19-16-20(30)12-13-21(19)25(22)27-23/h3-5,7-8,12-13,16-17,30H,6,9-11,14-15H2,1-2H3,(H,28,29,31).
What are the key properties of N-[8-hydroxy-2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-4-phenylbutanamide?
N-[8-hydroxy-2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-4-phenylbutanamide has a molecular weight of 415.54 g/mol, XLogP of 5.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-hydroxy-2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-4-phenylbutanamide is sourced from PubChem (CID 137158320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).